Cas No.: | 1429179-07-6 |
Chemical Name: | (4S)-3-[2-[[(1S)-1-[5-(4-Fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one |
Synonyms: | (4s)-3-[2-({(1s)-1-[5-(4-Fluoro-3-Methylphenyl)pyrimidin-2-Yl]ethyl}amino)pyrimidin-4-Yl]-4-(Propan-2-Yl)-1,3-Oxazolidin-2-One;7J2;(4S)-3-[2-[[(1S)-1-[5-(4-Fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;IDH889 |
SMILES: | FC1C([H])=C([H])C(=C([H])C=1C([H])([H])[H])C1C([H])=NC([C@]([H])(C([H])([H])[H])N([H])C2=NC([H])=C([H])C(=N2)N2C(=O)OC([H])([H])[C@]2([H])C([H])(C([H])([H])[H])C([H])([H])[H])=NC=1[H] |
Formula: | C23H25FN6O2 |
M.Wt: | 436.4820 |
Purity: | >98% |
Sotrage: | 2 years -20°C Powder, 2 weeks 4°C in DMSO, 6 months -80°C in DMSO |
Description: | IDH889 is an orally available, brain penetrant, allosteric and mutant specific inhibitor of isocitrate dehydrogenase 1 (IDH1). IDH889 has potent selectivity for IDH1 R132* mutations, with IC50s of 0.02 μM, 0.072 μM and 1.38 μM for IDH1R132H, IDH1R132C and IDH1wt, respectively. IDH889 shows potent cellular inhibition of R-2-hydroxyglutarate (2-HG) production with an IC50 of 0.014 μM[1]. |
Target: | IC50: 0.02 μM (IDH1R132H), 0.072 μM (IDH1R132C), 1.38 μM (IDH1wt)[1] |
References: | [1]. Levell JR, et al. Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1. ACS Med Chem Lett. 2016 Dec 16;8(2):151-156. |